2-(2-methoxyethylamino)-5-thiophen-2-ylbenzonitrile

C14H14N2OS — CID 125453274

IUPAC2-(2-methoxyethylamino)-5-thiophen-2-ylbenzonitrile
SMILESCOCCNc1ccc(-c2cccs2)cc1C#N
InChIInChI=1S/C14H14N2OS/c1-17-7-6-16-13-5-4-11(9-12(13)10-15)14-3-2-8-18-14/h2-5,8-9,16H,6-7H2,1H3
InChIKeyLPANXCURRVBCSK-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.35
Rot. Bonds5

About 2-(2-methoxyethylamino)-5-thiophen-2-ylbenzonitrile

2-(2-methoxyethylamino)-5-thiophen-2-ylbenzonitrile (PubChem CID 125453274) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-5-thiophen-2-ylbenzonitrile.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-5-thiophen-2-ylbenzonitrile
PubChem CID125453274
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-(2-methoxyethylamino)-5-thiophen-2-ylbenzonitrile
SMILESCOCCNc1ccc(-c2cccs2)cc1C#N
InChIInChI=1S/C14H14N2OS/c1-17-7-6-16-13-5-4-11(9-12(13)10-15)14-3-2-8-18-14/h2-5,8-9,16H,6-7H2,1H3
InChIKeyLPANXCURRVBCSK-UHFFFAOYSA-N
XLogP3.35
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-methoxyethylamino)-5-thiophen-2-ylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-5-thiophen-2-ylbenzonitrile?
The IUPAC name of 2-(2-methoxyethylamino)-5-thiophen-2-ylbenzonitrile (CID 125453274) is 2-(2-methoxyethylamino)-5-thiophen-2-ylbenzonitrile.
What is the SMILES notation for 2-(2-methoxyethylamino)-5-thiophen-2-ylbenzonitrile?
The canonical SMILES for 2-(2-methoxyethylamino)-5-thiophen-2-ylbenzonitrile is COCCNc1ccc(-c2cccs2)cc1C#N.
What is the InChIKey of 2-(2-methoxyethylamino)-5-thiophen-2-ylbenzonitrile?
The InChIKey is LPANXCURRVBCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-17-7-6-16-13-5-4-11(9-12(13)10-15)14-3-2-8-18-14/h2-5,8-9,16H,6-7H2,1H3.
What are the key properties of 2-(2-methoxyethylamino)-5-thiophen-2-ylbenzonitrile?
2-(2-methoxyethylamino)-5-thiophen-2-ylbenzonitrile has a molecular weight of 258.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-5-thiophen-2-ylbenzonitrile is sourced from PubChem (CID 125453274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).